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1017781-19-9 | 1H-Pyrazol-5-amine, 1-(2,6-dichlorophenyl)-3-(1,1-dimethylethyl)-
CAS No: 1017781-19-9 Catalog No: AG0005H4 MDL No:MFCD04115081
Product Description
Catalog Number:
AG0005H4
Chemical Name:
1H-Pyrazol-5-amine, 1-(2,6-dichlorophenyl)-3-(1,1-dimethylethyl)-
CAS Number:
1017781-19-9
Molecular Formula:
C13H15Cl2N3
Molecular Weight:
284.1843
MDL Number:
MFCD04115081
IUPAC Name:
5-tert-butyl-2-(2,6-dichlorophenyl)pyrazol-3-amine
InChI:
InChI=1S/C13H15Cl2N3/c1-13(2,3)10-7-11(16)18(17-10)12-8(14)5-4-6-9(12)15/h4-7H,16H2,1-3H3
InChI Key:
XSAHIDXNXGHGIV-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1n1nc(cc1N)C(C)(C)C)Cl
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.184g/mol
Monoisotopic Mass:
283.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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